2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene

C6H4ClFN2 — CID 21752682

IUPAC2-chloro-6-diazo-1-fluorocyclohexa-1,3-diene
SMILESC1C=CC(=C(C1=[N+]=[N-])F)Cl
InChIInChI=1S/C6H4ClFN2/c7-4-2-1-3-5(10-9)6(4)8/h1-2H,3H2
InChIKeyGVPGRLYUFKWHIM-UHFFFAOYSA-N
MW158.56 g/mol
LogP2.10
Rot. Bonds

About 2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene

2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene (PubChem CID 21752682) has the molecular formula C6H4ClFN2 and a molecular weight of 158.56 g/mol. Its IUPAC name is 2-chloro-6-diazo-1-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene
PubChem CID21752682
Molecular FormulaC6H4ClFN2
Molecular Weight158.56 g/mol
Exact Mass158.00
IUPAC Name2-chloro-6-diazo-1-fluorocyclohexa-1,3-diene
SMILESC1C=CC(=C(C1=[N+]=[N-])F)Cl
InChIInChI=1S/C6H4ClFN2/c7-4-2-1-3-5(10-9)6(4)8/h1-2H,3H2
InChIKeyGVPGRLYUFKWHIM-UHFFFAOYSA-N
XLogP2.10
TPSA2.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity261

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.56
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Benzene, diazido-
CID 12025387
Diazobenzol
CID 18624439
4-Diazochlorbenzol
CID 53971546
Diazochlorbenzole
CID 129647929
2,5-Dichlorodiazobenzene
CID 129803592
1-Chloro-5-diazo-6-fluorocyclohexa-1,3-diene
CID 19748491
6-Diazo-1,2-difluorocyclohexa-1,3-diene
CID 21752678
5-Diazo-2-fluorocyclohexa-1,3-diene
CID 53831843
6-Diazo-2-fluorocyclohexa-1,3-diene
CID 57085086
(2-Fluorocyclohexa-2,4-dien-1-ylidene)hydrazine
CID 67687921
5-Diazo-1,6-difluorocyclohexa-1,3-diene
CID 88479657
(4-Chloro-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium
CID 142587566

Frequently Asked Questions

What is the IUPAC name of 2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene?
The IUPAC name of 2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene (CID 21752682) is 2-chloro-6-diazo-1-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene?
The canonical SMILES for 2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene is C1C=CC(=C(C1=[N+]=[N-])F)Cl.
What is the InChIKey of 2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene?
The InChIKey is GVPGRLYUFKWHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2/c7-4-2-1-3-5(10-9)6(4)8/h1-2H,3H2.
What are the key properties of 2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene?
2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene has a molecular weight of 158.56 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chloro-6-diazo-1-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 21752682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).